General Information of the Compound
| Compound ID |
CP0535587
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| Compound Name |
US8912224, 297
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| Structure |
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| Formula |
C28H30N4O3S
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| Molecular Weight |
502.64
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| Canonical SMILES |
Cc1nn(C)c(C)c1CCC(=O)NCc1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C28H30N4O3S/c1-18-24(19(2)32(3)31-18)11-14-27(33)29-16-23-17-30-28(36-23)34-22-10-13-26-21(15-22)9-12-25(35-26)20-7-5-4-6-8-20/h4-8,10,13,15,17,25H,9,11-12,14,16H2,1-3H3,(H,29,33)/t25-/m0/s1
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| InChIKey |
MZZBKZXASNLECM-VWLOTQADSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound